SCHEMBL11323158

SCHEMBL11323158

O=C(O)C1C=Cc2nc3cc([N+](=O)[O-])ccc3cc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RHOA P61586 2/20 0.41
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GUCY1B2 O75343 1/20 0.36
▸ GUCY1A2 P33402 1/20 0.36
▸ GUCY1A1 Q02108 1/20 0.36
▸ GUCY1B1 Q02153 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ TXNRD1 Q16881 1/20 0.34
▸ TXNRD3 Q86VQ6 1/20 0.34
▸ TXNRD2 Q9NNW7 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ IDO1 P14902 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11324116 0.80 RXFP1 (0.36) RAB9ANPC1TDP1ALDH1A1
SCHEMBL11055323 0.74 ALDH1A1 (0.38) RHOAMAPTLMNAGUCY1B2GUCY1A2
SCHEMBL28753879 0.67 MAPT (0.51) MAPTRAB9ALMNAGUCY1B2GUCY1A2
SCHEMBL2084891 0.64 TTR (0.53) MAPTLMNAGUCY1B2GUCY1A2GUCY1A1
SCHEMBL30663240 0.64 TTR (0.47) MAPTRAB9ALMNAMEN1NPC1
SCHEMBL28046337 0.62 MAPT (0.50) MAPTRAB9ALMNAMEN1NPC1
SCHEMBL32690191 0.61 RAB9A (0.62) MAPTRAB9ALMNAMEN1NPC1
SCHEMBL8541741 0.61 ALDH1A1 (0.58) MAPTRAB9ALMNAMEN1KMT2A
SCHEMBL29098567 0.61 CYP1A2 (0.54) MAPTRAB9ALMNAMEN1NPC1
SCHEMBL7260391 0.60 ALDH1A1 (0.51) MAPTLMNAGUCY1B2GUCY1A2GUCY1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4250182-A Pharmaceutical composition containing acridone compounds and method of using same BURROUGHS WELLCOME CO. (US) 1981-02-10 — — US disclosed
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